SCHEMBL8091663

SCHEMBL8091663

N#Cc1cccc2c3c([nH]c12)CCN(C(=O)[C@@H]1CCCCC1C(=O)NC1(C#N)CC1)C3

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTSK P43235 18/20 1.00
CTSB P07858 1/20 0.68

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2248479 1.00 CTSK (1.00) CTSKCTSB
SCHEMBL2243768 0.92 CTSK (0.84) CTSKCTSB
SCHEMBL2243771 0.91 CTSK (1.00) CTSKCTSB
SCHEMBL2244077 0.91 CTSK (1.00) CTSKCTSB
SCHEMBL2246081 0.91 CTSK (1.00) CTSKCTSB
SCHEMBL2239705 0.91 CTSK (0.83) CTSKCTSB
SCHEMBL2243509 0.89 CTSK (1.00) CTSKCTSB
SCHEMBL2248488 0.89 CTSK (0.82) CTSKCTSB
SCHEMBL2245036 0.89 CTSK (1.00) CTSKCTSB
SCHEMBL2241257 0.88 CTSK (1.00) CTSKCTSB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009001129-A9 1-CYANOCYCLOPROPYL-DERIVATIVES AS CATHEPSIN K INHIBITORS ASTRAZENECA AB (SE) 2010-02-04 WO disclosed
WO-2009001129-A1 1-CYANOCYCLOPROPYL-DERIVATIVES AS CATHEPSIN K INHIBITORS ASTRAZENECA AB (SE) 2008-12-31 WO disclosed